SCHEMBL3317724

SCHEMBL3317724

CCOc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ TSHR P16473 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ PRMT5 O14744 1/20 0.49
▸ BTK Q06187 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ATM Q13315 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ AR P10275 4/20 0.46
▸ PARP1 P09874 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3312900 0.85 SMN1; SMN2 (0.49) POLBSMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL3320407 0.83 FAAH (0.50) POLBSMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL3313906 0.83 FAAH (0.50) POLBSMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL3319485 0.83 FAAH (0.50) POLBSMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL3312696 0.83 FAAH (0.50) POLBSMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL3312538 0.83 FAAH (0.50) POLBSMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL3318340 0.83 FAAH (0.50) POLBSMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL3316341 0.83 FAAH (0.50) POLBSMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL8213702 0.80 PDE4A (0.54) POLBSMN1; SMN2ALDH1A1TSHRPRMT5
SCHEMBL8430557 0.79 CNR1 (0.59) ALDH1A1KDM4EBTKKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718787-B2 Poly (ADP-ribose) polymerase inhibitor CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-08-01 — — US disclosed
US-9278098-B2 Substituted phthalazines for inducing insulin secretion and protecting beta-cells UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-03-08 — — US disclosed
US-20150368205-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD. (CN) 2015-12-24 — — US disclosed
US-9187430-B2 Poly (ADP-ribose) polymerase inhibitor CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD. (CN) 2015-11-17 — — US disclosed
US-20150164892-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2015-06-18 — — US disclosed
EP-2132183-B1 LISOFYLLINE ANALOGS AND METHODS FOR USE Univ Virginia Patent Found (US) 2015-06-03 — — EP disclosed
EP-2132183-B1 LISOFYLLINE ANALOGS AND METHODS FOR USE Univ Virginia Patent Found (US) 2015-06-03 — — EP disclosed
US-20150051211-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD. (CN) 2015-02-19 — — US disclosed
US-8871764-B2 Lisofylline analogs and methods for use UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-10-28 — — US disclosed
US-20130137693-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2013-05-30 — — US disclosed
US-20100105690-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2010-04-29 — — US disclosed
US-20100105690-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2010-04-29 — — US disclosed
US-20100105690-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2010-04-29 — — US disclosed
EP-2132183-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE University Of Virginia Patent Foundation (US) 2009-12-16 — — EP disclosed
WO-2008108842-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-09-12 — — WO disclosed
WO-2008108842-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-09-12 — — WO disclosed
EP-0542850-A1 POST-PROCESSING STABILIZED PHOTOTHERMOGRAPHIC MATERIAL. MINNESOTA MINING & MFG (US) 1993-05-26 — — EP disclosed
WO-1992002852-A1 POST-PROCESSING STABILIZED PHOTOTHERMOGRAPHIC EMULSIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-02-20 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150164892-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE IAPP, RNASE1, CTSA POLB 2008/4885SMN1; SMN2 45/4885ALDH1A1 3961/4885
US-20100105690-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE IAPP, RNASE1, CTSA POLB 2224/4885SMN1; SMN2 50/4885ALDH1A1 4004/4885
US-20150051211-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR PARP1, PARP2, PARP11 POLB 17/4885SMN1; SMN2 1437/4885ALDH1A1 607/4885
US-20130137693-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE IAPP, RNASE1, CTSA POLB 2224/4885SMN1; SMN2 50/4885ALDH1A1 4004/4885
US-20150368205-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR PARP1, PARP2, PARP11 POLB 17/4885SMN1; SMN2 1437/4885ALDH1A1 607/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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